SCHEMBL9152283

SCHEMBL9152283

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccc(F)c(F)c2)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KCNJ6 P48051 2/20 0.40
KCNJ5 P48544 2/20 0.40
KCNJ3 P48549 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9160125 0.91 KMT2A (0.47) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9159137 0.90 KMT2A (0.43) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9153700 0.90 ALDH1A1 (0.44) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9161964 0.90 KMT2A (0.48) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9152533 0.89 NPC1 (0.50) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9159125 0.89 ALDH1A1 (0.51) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9157309 0.89 MEN1 (0.46) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9158259 0.88 MEN1 (0.45) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9153478 0.88 MEN1 (0.43) MEN1KMT2ATHRBPKMNPC1
SCHEMBL9158341 0.87 MEN1 (0.41) MEN1KMT2ATHRBPKMNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed